N-[(2-methylphenyl)sulfanyl-naphthalen-1-ylmethyl]benzamide

C25H21NOS — CID 154996169

IUPACN-[(2-methylphenyl)sulfanyl-naphthalen-1-ylmethyl]benzamide
SMILESCc1ccccc1SC(NC(=O)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C25H21NOS/c1-18-10-5-8-17-23(18)28-25(26-24(27)20-12-3-2-4-13-20)22-16-9-14-19-11-6-7-15-21(19)22/h2-17,25H,1H3,(H,26,27)
InChIKeyDZEOXPZCXFDWJQ-UHFFFAOYSA-N
MW383.52 g/mol
LogP6.37
Rot. Bonds5

About N-[(2-methylphenyl)sulfanyl-naphthalen-1-ylmethyl]benzamide

N-[(2-methylphenyl)sulfanyl-naphthalen-1-ylmethyl]benzamide (PubChem CID 154996169) has the molecular formula C25H21NOS and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[(2-methylphenyl)sulfanyl-naphthalen-1-ylmethyl]benzamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)sulfanyl-naphthalen-1-ylmethyl]benzamide
PubChem CID154996169
Molecular FormulaC25H21NOS
Molecular Weight383.52 g/mol
Exact Mass383.13
IUPAC NameN-[(2-methylphenyl)sulfanyl-naphthalen-1-ylmethyl]benzamide
SMILESCc1ccccc1SC(NC(=O)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C25H21NOS/c1-18-10-5-8-17-23(18)28-25(26-24(27)20-12-3-2-4-13-20)22-16-9-14-19-11-6-7-15-21(19)22/h2-17,25H,1H3,(H,26,27)
InChIKeyDZEOXPZCXFDWJQ-UHFFFAOYSA-N
XLogP6.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.52
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[naphthalen-1-yl(octylsulfanyl)methyl]benzamide
CID 3571903
diethyl 2-[benzamido(naphthalen-1-yl)methyl]propanedioate
CID 102169461
methyl 3-benzamido-4-methyl-2-naphthalen-1-ylpentanoate
CID 44890614
2-benzamido-2-(2-methylphenyl)acetic acid
CID 82092810
N-(1-naphthalen-1-ylethyl)-2,3-diphenylquinoxaline-6-carboxamide
CID 43853062
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide
CID 139460648
4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 9439131
carbonic acid;1-methylnaphthalene
CID 66808059
N-[(2S)-2-cyano-1-naphthalen-1-yl-2-phenylbutyl]benzamide
CID 44890546
3-methyl-N-[1-(1-naphthalen-1-ylethylamino)-1-oxopropan-2-yl]benzamide
CID 112765749
N-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide
CID 55757507
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride
CID 164614215

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)sulfanyl-naphthalen-1-ylmethyl]benzamide?
The IUPAC name of N-[(2-methylphenyl)sulfanyl-naphthalen-1-ylmethyl]benzamide (CID 154996169) is N-[(2-methylphenyl)sulfanyl-naphthalen-1-ylmethyl]benzamide.
What is the SMILES notation for N-[(2-methylphenyl)sulfanyl-naphthalen-1-ylmethyl]benzamide?
The canonical SMILES for N-[(2-methylphenyl)sulfanyl-naphthalen-1-ylmethyl]benzamide is Cc1ccccc1SC(NC(=O)c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N-[(2-methylphenyl)sulfanyl-naphthalen-1-ylmethyl]benzamide?
The InChIKey is DZEOXPZCXFDWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NOS/c1-18-10-5-8-17-23(18)28-25(26-24(27)20-12-3-2-4-13-20)22-16-9-14-19-11-6-7-15-21(19)22/h2-17,25H,1H3,(H,26,27).
What are the key properties of N-[(2-methylphenyl)sulfanyl-naphthalen-1-ylmethyl]benzamide?
N-[(2-methylphenyl)sulfanyl-naphthalen-1-ylmethyl]benzamide has a molecular weight of 383.52 g/mol, XLogP of 6.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)sulfanyl-naphthalen-1-ylmethyl]benzamide is sourced from PubChem (CID 154996169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).